1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C17H23N5O3 — CID 56914290

IUPAC1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCc1nccn1CCCC(=O)N1CCC(C(=O)O)(n2cccn2)CC1
InChIInChI=1S/C17H23N5O3/c1-14-18-8-13-20(14)9-2-4-15(23)21-11-5-17(6-12-21,16(24)25)22-10-3-7-19-22/h3,7-8,10,13H,2,4-6,9,11-12H2,1H3,(H,24,25)
InChIKeyWEWHVEHEPYBBIG-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.27
Rot. Bonds6

About 1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56914290) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56914290
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCc1nccn1CCCC(=O)N1CCC(C(=O)O)(n2cccn2)CC1
InChIInChI=1S/C17H23N5O3/c1-14-18-8-13-20(14)9-2-4-15(23)21-11-5-17(6-12-21,16(24)25)22-10-3-7-19-22/h3,7-8,10,13H,2,4-6,9,11-12H2,1H3,(H,24,25)
InChIKeyWEWHVEHEPYBBIG-UHFFFAOYSA-N
XLogP1.27
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56914290) is 1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is Cc1nccn1CCCC(=O)N1CCC(C(=O)O)(n2cccn2)CC1.
What is the InChIKey of 1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is WEWHVEHEPYBBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-14-18-8-13-20(14)9-2-4-15(23)21-11-5-17(6-12-21,16(24)25)22-10-3-7-19-22/h3,7-8,10,13H,2,4-6,9,11-12H2,1H3,(H,24,25).
What are the key properties of 1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylimidazol-1-yl)butanoyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56914290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).